5-[(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid
5-[(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-0233 |
| Compound Name: | 5-[(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C17 H22 N2 O3 S |
| Smiles: | CCCC1CCc2c(C#N)c(NC(CCCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8724 |
| logD: | 0.2752 |
| logSw: | -3.3412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.543 |
| InChI Key: | IOYBNTDQIUPJQC-LLVKDONJSA-N |